Spectrophotometric And Electrochemical Analysis Of The Interaction Between Host With Guest And Predicting The Interaction By ANN

Host guest recognition is the process that host molecule form binding with guest molecule selectively and product some special function. Up to today, the study category of Host-guest chemistry no longer limited to study inclusion chemistry that mainly studies crown ether, cyclodextrin and other molecules. All are the study category of host-guest chemistry if the research content involves two or more chemical species forming the aggregate chemical or entity chemical by the molecular weak interactions. Host-guest chemistry has become one of the quickest and most challenging fields in chemistry, which shows us a colorful world and put forward a new challenge to the traditional chemistry. Its applications to catalysis, separation of molecules or ions, environmental science, life science and material science have a profound significance to the development of human beings.The binding of drug molecules to biomacromolecule, which belongs to the study category of Host-guest chemistry, occurs mostly through weak non-covalent interactions which include Van'der Waals interaction, hydrophobic force, electrostatic interaction and hydrogen bond respectively. Studies on Interaction of drug molecules with biomacromolecule have very important meaning in the fields of elucidate the mechanism of biological reaction, revealing the essence of life phenomenon, and screening the drugs in vitro, synthesis or optimization of leading compounds.Some techniques are commonly used to detect interaction between drug and Biomacromolecule, including the spectrophotometry, electrochemical, nuclear magnetic resonance (NMR), mass spectrometry and chromatography, and spectrophotometry, electrochemical are the most common methods.The paper reviews the development and various methods of host-guest interaction, and has a detailed description for the interaction between drugs with protein and drugs with deoxyribonucleic acid in recent years. Main efforts devoted to this paper are shown as follows:1. Studies of the interaction between drugs and bovine serum albumin by spectroscopic methods Fluorescence spectrum technique, UV-Vis absorption spectrum are adopted to study interaction of more than thirty kinds of drugs with BSA, respectively. Thirty kinds of drugs include eight kinds of Flavonoids (Silmyarin, Formononetin, Hesperetin, Genistein, Chrysin, Daidzein, Luteolin, Apigenin), five Flavonoid glycosides (Rutin, Hesperidin, Naringin, Puerarin, Baicalin), two Chrysin-8-sulfonate derivates (Sodium chrysin-8-sulfonate and Calcium chrysin-8-sulfonate), and more than ten drugs (Rhein, Indometacin, Dipyridamole, and so on). Mechanisms of fluorescence quenching, main type of binding force, the numbers of binding sites and bind distance of these drugs to BSA are acquired under the same experimental condition. The paper studies the influences of conformation investigation of BSA by synchronous fluorescence spectra when drugs are added, and makes a simple analysis to its interaction mechanism.2. Studies of the interaction between drugs and bovine serum albumin by electrochemical methodThe paper studies the interaction of two kinds of drugs incluing Chrysin, Daidzein with BSA by linear sweep voltammetry, respectively, and studies the influences of buffer system, pH Value, reaction time, temperature, scanning rate, ionic strength to the results of interaction. Then the paper makes a simple analysis toward mechanism of the interaction, and calculates the binding constant and the numbers of binding sites in the process of the interaction.3. Studies of the interaction between drugs and DNA by spectroscopic MethodsThe paper studies the interaction of two kinds of drugs incluing Apigenin, Hydroxycamptothecine with DNA using Acridine Orange (AO) as a probe by Fluorescence spectrum, UV-Vis absorption spectrum and methods of viscosity. Then the paper makes an analysis to the interaction of the Apigenin and Hydroxycamptothecine with DNA, respectively, the interaction includes main type of binding force, action mode, the binding constant at the different temperature and the numbers of binding sites. 4. Studies of the interaction between drugs with DNA by electrochemical methodThe paper studies the interaction of three kinds of drugs incluing Metolazone, Chrysin and Daidzein with DNA, respectively, by Linear Sweep Voltammetry. The effect of the buffer system, pH Value, reaction time, reaction temperature, scanning rate, ionic strength to the interaction are investigated. Then the paper makes a simple analysis toward mechanism of the interaction, and calculates the binding constant and the numbers of binding sites in the process of the interaction.5. Predicting the interaction of drugs with BSA by PCA-ANNOn the base of results of fluorescence analysis, the paper applies Principal Component Analysis and Artificial Neural Network (PCA-ANN) with molecular structure descriptors to establish the two prediction models:structure descriptors of drugs to fluorescence quenching mechanisms of drugs with BSA and structure descriptors of drugs to main type of binding force of drugs with BSA. The interactions between the five kinds of drugs with bovine serum albumin are predicted by the two models. There are no significant difference between the prediction results and the spectral experimental results. This shows Host-guest interaction type between molecular structure and BSA is with high predicting accuracy, which supplies some references to the storage, transfer and pharmacological effects of various drugs in the body, and offers a new idea to study the interaction between drug molecules to biomacromolecule.